N-[(2-methoxyphenyl)carbamoyl]-4-(thiadiazol-4-yl)benzamide

C17H14N4O3S — CID 2739361

IUPACN-[(2-methoxyphenyl)carbamoyl]-4-(thiadiazol-4-yl)benzamide
SMILESCOc1ccccc1NC(=O)NC(=O)c1ccc(-c2csnn2)cc1
InChIInChI=1S/C17H14N4O3S/c1-24-15-5-3-2-4-13(15)18-17(23)19-16(22)12-8-6-11(7-9-12)14-10-25-21-20-14/h2-10H,1H3,(H2,18,19,22,23)
InChIKeyQSYCCTTYDPIOLQ-UHFFFAOYSA-N
MW354.39 g/mol
LogP3.18
Rot. Bonds4

About N-[(2-methoxyphenyl)carbamoyl]-4-(thiadiazol-4-yl)benzamide

N-[(2-methoxyphenyl)carbamoyl]-4-(thiadiazol-4-yl)benzamide (PubChem CID 2739361) has the molecular formula C17H14N4O3S and a molecular weight of 354.39 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)carbamoyl]-4-(thiadiazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)carbamoyl]-4-(thiadiazol-4-yl)benzamide
PubChem CID2739361
Molecular FormulaC17H14N4O3S
Molecular Weight354.39 g/mol
Exact Mass354.08
IUPAC NameN-[(2-methoxyphenyl)carbamoyl]-4-(thiadiazol-4-yl)benzamide
SMILESCOc1ccccc1NC(=O)NC(=O)c1ccc(-c2csnn2)cc1
InChIInChI=1S/C17H14N4O3S/c1-24-15-5-3-2-4-13(15)18-17(23)19-16(22)12-8-6-11(7-9-12)14-10-25-21-20-14/h2-10H,1H3,(H2,18,19,22,23)
InChIKeyQSYCCTTYDPIOLQ-UHFFFAOYSA-N
XLogP3.18
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyphenyl)-4-(2H-tetrazol-5-yl)benzamide
CID 23541019
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-4-phenylbenzamide
CID 26522657
N-(2-methoxyphenyl)-4-thiophen-2-ylbenzamide
CID 59673491
1-(2-methoxyphenyl)-3-[(E)-N'-(4-phenyl-1,3-thiazol-2-yl)carbamimidoyl]urea
CID 171814784
N-(2-methoxyphenyl)-4-sulfanylbenzamide
CID 107019826
2-(2-methoxyanilino)-4-methyl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 59729242
2-N,5-N-bis(2-methoxyphenyl)pyridine-2,5-dicarboxamide
CID 1369664
4-[(4-fluorobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 2677066
2-(4-chlorophenyl)-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazole-4-carboxamide
CID 134030235
4-(1-aminoethyl)-N-(2-methoxyphenyl)benzamide
CID 82023811
N-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18148000
4-[[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-(2-methoxyphenyl)benzamide
CID 30798117

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)carbamoyl]-4-(thiadiazol-4-yl)benzamide?
The IUPAC name of N-[(2-methoxyphenyl)carbamoyl]-4-(thiadiazol-4-yl)benzamide (CID 2739361) is N-[(2-methoxyphenyl)carbamoyl]-4-(thiadiazol-4-yl)benzamide.
What is the SMILES notation for N-[(2-methoxyphenyl)carbamoyl]-4-(thiadiazol-4-yl)benzamide?
The canonical SMILES for N-[(2-methoxyphenyl)carbamoyl]-4-(thiadiazol-4-yl)benzamide is COc1ccccc1NC(=O)NC(=O)c1ccc(-c2csnn2)cc1.
What is the InChIKey of N-[(2-methoxyphenyl)carbamoyl]-4-(thiadiazol-4-yl)benzamide?
The InChIKey is QSYCCTTYDPIOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3S/c1-24-15-5-3-2-4-13(15)18-17(23)19-16(22)12-8-6-11(7-9-12)14-10-25-21-20-14/h2-10H,1H3,(H2,18,19,22,23).
What are the key properties of N-[(2-methoxyphenyl)carbamoyl]-4-(thiadiazol-4-yl)benzamide?
N-[(2-methoxyphenyl)carbamoyl]-4-(thiadiazol-4-yl)benzamide has a molecular weight of 354.39 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)carbamoyl]-4-(thiadiazol-4-yl)benzamide is sourced from PubChem (CID 2739361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).